CAS RN: 24461-33-4
MALEIC-2,3-D2 ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260512 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS24461-33-4
- Purity/Analytical Methods: >99.0%
24461-33-4 / but-2-enedioic acid
Basic Information
CAS
24461-33-4
Multi CAS
No
Molecular Formula
C4H4O4
Molecular Weight
116.070000
Exact Mass
116.010959
SMILES
C(=CC(=O)O)C(=O)O
InChI
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)
InChIKey
VZCYOOQTPOCHFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
24.41
TPSA
74.6
LogP / Solubility
WLOGP
-0.29
MLOGP
-0.26
XLogP3
-0.3
Consensus LogP
-0.28
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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